Geometry & MOs

Info

ID:	169895
PubChem CID:	75164172
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	370.116486
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	1.79
IP(EA), eV:	-8.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dinitrophenyl)-hydroxymethyl]-1-phenylhex-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=C(C=C1)C=CC

DOS

IR

Vibrations